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Calcium in PDB 7az2: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014

Enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014:
5.2.1.8;

Protein crystallography data

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014, PDB code: 7az2 was solved by M.Wolter, L.V.Dijck, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.24 / 1.08
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 82.142, 112.024, 62.456, 90, 90, 90
R / Rfree (%) 18.5 / 19.7

Other elements in 7az2:

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Fluorine (F) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014 (pdb code 7az2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014, PDB code: 7az2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 7az2

Go back to Calcium Binding Sites List in 7az2
Calcium binding site 1 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:21.5
occ:1.00
O A:GLU110 2.3 19.1 1.0
OE1 A:GLU35 2.3 19.3 1.0
O A:HOH508 2.3 27.6 1.0
O A:HOH621 2.4 30.1 1.0
OE2 A:GLU35 2.9 29.7 1.0
CD A:GLU35 2.9 22.6 1.0
C A:GLU110 3.5 15.9 1.0
O A:HOH628 4.0 46.7 1.0
N A:GLY112 4.0 18.0 1.0
CG A:GLU35 4.3 17.7 1.0
CA A:GLU110 4.4 15.2 1.0
N A:ALA111 4.4 15.4 1.0
OE1 A:GLU110 4.4 42.1 1.0
CA A:ALA111 4.5 16.3 1.0
O A:HOH456 4.5 31.3 1.0
CB A:GLU110 4.5 17.1 1.0
O A:HOH626 4.6 31.9 1.0
O A:HOH443 4.6 37.2 1.0
C A:ALA111 4.7 16.2 1.0
CA A:GLY112 4.8 18.2 1.0

Calcium binding site 2 out of 2 in 7az2

Go back to Calcium Binding Sites List in 7az2
Calcium binding site 2 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1014 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:76.2
occ:0.95
OE1 A:GLU2 2.5 17.8 1.0
O A:HOH649 2.6 39.5 1.0
O A:HOH425 2.6 16.6 1.0
CD A:GLU2 3.5 14.7 1.0
OE2 A:GLU2 3.8 17.7 1.0
O A:HOH593 4.3 17.4 1.0
O A:HOH717 4.4 18.9 1.0
CG A:GLU2 4.8 15.0 1.0
CA A:GLU2 4.9 12.2 1.0

Reference:

P.J.Cossar, M.Wolter, L.Van Dijck, D.Valenti, L.M.Levy, C.Ottmann, L.Brunsveld. Reversible Covalent Imine-Tethering For Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 34047554
DOI: 10.1021/JACS.1C03035
Page generated: Thu Jul 18 23:09:47 2024

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